[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-13-6-7-14(2)17(10-13)22-19(25)12-29-20(26)9-8-18(24)21-15-4-3-5-16(11-15)23(27)28/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24)(H,22,25)